CCL^Ô/CPL^Ô

Crystallographic

Concept/Protocol

Libraries

Programmer’s Guide and Reference

John Zhong Ren

Renz Research, Inc.

All rights reserved

10/16/2003 4:07 PM, Westmont, Illinois

Crystallographic Concept LibraryÔ, CCLÔ, Crystallographic Protocol LibraryÔ, and CPLÔ are trademarks of Renz Research, Inc.

Chapter 1 Overview

PART I MATH APPLICATION IN CRYSTALLOGRAPHY

Chapter 2 Math Utilities

Chapter 3 Vector and Matrix
Chapter 4 Function, Equation, and Geometry
Chapter 5 Evaluation of Functions
Chapter 6 Optimization
Chapter 7 Series and FFT
Chapter 8 Sparse Matrix
Chapter 9 Statistics of Data
Chapter 10

PART II CRYSTALLOGRAPHIC CONCEPT

Chapter 11 Crystallographic Utilities
Chapter 12 Unit Cell and Coordinates Systems
Chapter 13 Space Group and Crystallographic Symmetry
Chapter 14 Experimental Components
Chapter 15 Detector Space
Chapter 16 Reciprocal Space
Chapter 17 Direct Space

PART III CRYSTALLOGRAPHIC PROTOCOL

Chapter 18 Scaling of Data Sets
Chapter 19 Patterson Space
Chapter 20 Substructure
Chapter 21 Non-crystallographic Symmetry

PART IV SERVICE AND UTILITY

License and Version Validation
Message and Display
Reflection File
Coordinates File
Reporting and Parsing

DataSelection and Rejection

APPENDICES

Appendix 1 Making Shadow Classes with SWIG

for my children Michael, Peter, and Selena